Aggregation-based in silico study for better understanding of related membrane interfering analogous of Amphotericin B - Archive ouverte HAL Access content directly
Conference Papers Year : 2010

Aggregation-based in silico study for better understanding of related membrane interfering analogous of Amphotericin B

(1) , (2) , (1)
1
2

Abstract

Amphotericin B (AmB) is a choice antibiotic against fungal infections. Since AmB has many side effects, it is desired to come up with new molecules with similar activity and less toxicity. In this work, attempt has been made to design a series of molecules by chem/bioinformatics. The structure of AmB was divided into two fragments and the best modified molecules were chosen, according to binding energy obtained through in silico dock experiments. A similarity search was performed on the molecules, and the available similar compounds resulted to a set of structurally matched compounds with 70% and above for similarity value. Several molecules from the library were selected and evaluated for in vitro antifungal assay. The result of the evaluations was finding compounds, which their antifungal effect had not been reported before or proposed new mechanism of action possibly involve in binding to membrane components such as ergosterol.
Fichier principal
Vignette du fichier
New_Microsoft_Office_Word_Document_5_.pdf (172.31 Ko) Télécharger le fichier
Origin : Files produced by the author(s)

Dates and versions

pasteur-00746845 , version 1 (29-10-2012)

Identifiers

Cite

Sardari Soroush, Saied Mostaan, Azerang Parisa. Aggregation-based in silico study for better understanding of related membrane interfering analogous of Amphotericin B. Proceedings of the III International Conference on Environmental, Industrial and Applied Microbiology (BioMicroWorld2009), Dec 2010, Lisbon, Portugal. pp.668-671, ⟨10.1000/ISBN978-981-4322-11-9⟩. ⟨pasteur-00746845⟩

Collections

RIIP RIIP_IRAN
77 View
238 Download

Altmetric

Share

Gmail Facebook Twitter LinkedIn More